(2S,3R)-4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1H-inden-5-ol

C19H22O4 — CID 102057742

IUPAC(2S,3R)-4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1H-inden-5-ol
SMILESCOc1ccc([C@@H]2c3c(cc(OC)c(O)c3OC)C[C@@H]2C)cc1
InChIInChI=1S/C19H22O4/c1-11-9-13-10-15(22-3)18(20)19(23-4)17(13)16(11)12-5-7-14(21-2)8-6-12/h5-8,10-11,16,20H,9H2,1-4H3/t11-,16+/m0/s1
InChIKeyDTXNGSIMSNJCOY-MEDUHNTESA-N
MW314.38 g/mol
LogP3.74
Rot. Bonds4

About (2S,3R)-4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1H-inden-5-ol

(2S,3R)-4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1H-inden-5-ol (PubChem CID 102057742) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is (2S,3R)-4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name(2S,3R)-4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1H-inden-5-ol
PubChem CID102057742
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name(2S,3R)-4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1H-inden-5-ol
SMILESCOc1ccc([C@@H]2c3c(cc(OC)c(O)c3OC)C[C@@H]2C)cc1
InChIInChI=1S/C19H22O4/c1-11-9-13-10-15(22-3)18(20)19(23-4)17(13)16(11)12-5-7-14(21-2)8-6-12/h5-8,10-11,16,20H,9H2,1-4H3/t11-,16+/m0/s1
InChIKeyDTXNGSIMSNJCOY-MEDUHNTESA-N
XLogP3.74
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,3R)-4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1H-inden-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of (2S,3R)-4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1H-inden-5-ol (CID 102057742) is (2S,3R)-4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for (2S,3R)-4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for (2S,3R)-4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1H-inden-5-ol is COc1ccc([C@@H]2c3c(cc(OC)c(O)c3OC)C[C@@H]2C)cc1.
What is the InChIKey of (2S,3R)-4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1H-inden-5-ol?
The InChIKey is DTXNGSIMSNJCOY-MEDUHNTESA-N. The full InChI is InChI=1S/C19H22O4/c1-11-9-13-10-15(22-3)18(20)19(23-4)17(13)16(11)12-5-7-14(21-2)8-6-12/h5-8,10-11,16,20H,9H2,1-4H3/t11-,16+/m0/s1.
What are the key properties of (2S,3R)-4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1H-inden-5-ol?
(2S,3R)-4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1H-inden-5-ol has a molecular weight of 314.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 102057742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).